SCHEMBL8136244

SCHEMBL8136244

O=C1Nc2ccccc2Oc2c(Br)cccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PDGFRA P16234 1/20 0.44
FER P16591 1/20 0.44
LTK P29376 1/20 0.44
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
LRRK2 Q5S007 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ALOX5 P09917 3/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.42
MAOA P21397 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13098144 0.88 MEN1 (0.47) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL5357237 0.81 MAPT (0.45) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL8134709 0.81 MAPT (0.49) MEN1KMT2AMAPTL3MBTL1TDP1
Hydrochloric Acid SCHEMBL5362202 0.80 MAPT (0.44) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL19745771 0.80 ALOX5 (0.59) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL8264901 0.80 MAPT (0.47) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL5364723 0.80 MAPT (0.48) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL380110 0.78 ALOX5 (0.61) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL8204026 0.78 TRPA1 (0.43) MEN1KMT2AMAPTL3MBTL1TDP1
SCHEMBL5361826 0.77 POLB (0.56) MEN1KMT2AMAPTL3MBTL1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-8461145-B2 Dibenzoazepine and dibenzooxazepine TRPA1 agonists JANSSEN PHARMACEUTICA NV (BE) 2013-06-11 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 US disclosed
WO-2009071631-A2 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-11 WO disclosed
EP-0797577-B1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMA (CA) 2000-07-26 EP disclosed
EP-0797577-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY Allelix Biopharmaceuticals Inc. (CA) 1997-10-01 EP disclosed
WO-1996018630-A1 BICYCLIC NONANE AND DECANE COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (CA) 1996-06-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100273773-A1 DIBENZOAZEPINE AND DIBENZOOXAZEPINE TRPA1 AGONISTS TRPA1, TRPV1, TRPV2 MEN1 4772/4885KMT2A 4016/4885MAPT 1080/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.